2-amino-7-hydroxy-4-(8-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-7-hydroxy-4-(8-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1-benzopyran-3-carbonitrile
2-amino-7-hydroxy-4-(8-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8020-6496 |
| Compound Name: | 2-amino-7-hydroxy-4-(8-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 367.32 |
| Molecular Formula: | C18 H13 N3 O6 |
| Smiles: | C1COc2c(cc(cc2O1)C1C(C#N)=C(N)Oc2cc(ccc12)O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4622 |
| logD: | 1.4619 |
| logSw: | -1.9608 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 112.499 |
| InChI Key: | GHLMFHBVNZKXNY-INIZCTEOSA-N |